1-amino-N,3-dimethyl-N-(pyridin-3-ylmethyl)cyclohexane-1-carboxamide

C15H23N3O — CID 64551039

IUPAC1-amino-N,3-dimethyl-N-(pyridin-3-ylmethyl)cyclohexane-1-carboxamide
SMILESCC1CCCC(N)(C(=O)N(C)Cc2cccnc2)C1
InChIInChI=1S/C15H23N3O/c1-12-5-3-7-15(16,9-12)14(19)18(2)11-13-6-4-8-17-10-13/h4,6,8,10,12H,3,5,7,9,11,16H2,1-2H3
InChIKeyYDJBCWGIEVPOMR-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.95
Rot. Bonds3

About 1-amino-N,3-dimethyl-N-(pyridin-3-ylmethyl)cyclohexane-1-carboxamide

1-amino-N,3-dimethyl-N-(pyridin-3-ylmethyl)cyclohexane-1-carboxamide (PubChem CID 64551039) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-amino-N,3-dimethyl-N-(pyridin-3-ylmethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N,3-dimethyl-N-(pyridin-3-ylmethyl)cyclohexane-1-carboxamide
PubChem CID64551039
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name1-amino-N,3-dimethyl-N-(pyridin-3-ylmethyl)cyclohexane-1-carboxamide
SMILESCC1CCCC(N)(C(=O)N(C)Cc2cccnc2)C1
InChIInChI=1S/C15H23N3O/c1-12-5-3-7-15(16,9-12)14(19)18(2)11-13-6-4-8-17-10-13/h4,6,8,10,12H,3,5,7,9,11,16H2,1-2H3
InChIKeyYDJBCWGIEVPOMR-UHFFFAOYSA-N
XLogP1.95
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-N,3-dimethyl-N-[(3-methylphenyl)methyl]cyclohexane-1-carboxamide
CID 64551887
1-amino-N,3-dimethyl-N-(thiophen-3-ylmethyl)cyclohexane-1-carboxamide
CID 64550653
3-methyl-1-(pyridin-3-ylmethyl)cyclohexan-1-amine
CID 104735858
1-amino-3-ethoxy-N,2,2-trimethyl-N-(pyridin-3-ylmethyl)cyclobutane-1-carboxamide
CID 114828150
1-carbamothioyl-N-methyl-N-(pyridin-3-ylmethyl)cyclopropane-1-carboxamide
CID 80590042
1-amino-N-cyclopropyl-3-methyl-N-(pyridin-2-ylmethyl)cyclohexane-1-carboxamide
CID 64551877
1-(1-amino-3-methylcyclohexyl)-2-pyridin-4-ylethanone
CID 116579429
2-amino-N-methyl-N-(pyridin-3-ylmethyl)cyclohexane-1-carboxamide
CID 64824292
cyclopentyl N-methyl-N-(pyridin-3-ylmethyl)carbamate
CID 112738794
1-amino-N-[(1-hydroxycyclopentyl)methyl]-N,3-dimethylcyclohexane-1-carboxamide
CID 114948978
1-(1-amino-3-methylcyclohexyl)-2-(3-chloro-4-pyridinyl)ethanone
CID 116579224
3-ethyl-N-methyl-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 63130194

Frequently Asked Questions

What is the IUPAC name of 1-amino-N,3-dimethyl-N-(pyridin-3-ylmethyl)cyclohexane-1-carboxamide?
The IUPAC name of 1-amino-N,3-dimethyl-N-(pyridin-3-ylmethyl)cyclohexane-1-carboxamide (CID 64551039) is 1-amino-N,3-dimethyl-N-(pyridin-3-ylmethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-amino-N,3-dimethyl-N-(pyridin-3-ylmethyl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-amino-N,3-dimethyl-N-(pyridin-3-ylmethyl)cyclohexane-1-carboxamide is CC1CCCC(N)(C(=O)N(C)Cc2cccnc2)C1.
What is the InChIKey of 1-amino-N,3-dimethyl-N-(pyridin-3-ylmethyl)cyclohexane-1-carboxamide?
The InChIKey is YDJBCWGIEVPOMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-12-5-3-7-15(16,9-12)14(19)18(2)11-13-6-4-8-17-10-13/h4,6,8,10,12H,3,5,7,9,11,16H2,1-2H3.
What are the key properties of 1-amino-N,3-dimethyl-N-(pyridin-3-ylmethyl)cyclohexane-1-carboxamide?
1-amino-N,3-dimethyl-N-(pyridin-3-ylmethyl)cyclohexane-1-carboxamide has a molecular weight of 261.37 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N,3-dimethyl-N-(pyridin-3-ylmethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 64551039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).